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From: finance101@freemail.com.au
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From owner-molmodel@hgmp.mrc.ac.uk  Sun Dec  3 22:43:46 2000
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From: slimick@jcs.upb.pitt.edu (john slimick)
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Subject: Molecular Model and Data Structures
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I am building my own notes for
our data structures course --
I don't think existing texts address
real problems in the real world.
If there are MM programmers reading,
could you suggest a place to find 
information on the data structures
used to represent molecules?

I would appreciate it greatly.

Thanks in advance

john slimick
slimick@+pitt.edu
university of pittsburgh at bradford




From owner-molmodel@hgmp.mrc.ac.uk  Mon Dec  4 00:23:21 2000
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From: "Andrew Dalke" <dalke@acm.org>
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john slimick wrote in message ...
>I am building my own notes for our data structures course --
>I don't think existing texts address real problems in the real world.
>If there are MM programmers reading, could you suggest a place to find
>information on the data structures used to represent molecules?

There's plenty of source code available to look at, and some
contain additional documentation about the data structures used.
You might want to take a look at:
  TINKER  (in Fortran) - http://dasher.wustl.edu/tinker/
  NAMD  (in C++) - http://www.ks.uiuc.edu/Research/namd/
  MMTK  (in Python/C) - http://dirac.cnrs-orleans.fr/programs/MMTK/
  MOLDY (in C) - http://www.earth.ox.ac.uk/~keith/moldy.html
  GROMACS (in C) - http://rugmd0.chem.rug.nl/~gmx/software.html

Some of these sites have additional links to other programs.

The data structures aren't all the complicated for the simple
case.  The complications come in with, say, distributing the
simulation across many processors or optimizing non-bonded/
electrostatics terms.

                    Andrew
                    dalke@acm.org






From owner-molmodel@hgmp.mrc.ac.uk  Sun Dec 10 18:32:29 2000
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From owner-molmodel@hgmp.mrc.ac.uk  Mon Dec 11 16:20:19 2000
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Message-ID: <3A34FEB1.FC56197C@ks.uiuc.edu>
From: Jim Phillips <jim@ks.uiuc.edu>
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The Theoretical Biophysics Group at the University of Illinois is an NIH
Resource for Macromolecular Modeling and Bioinformatics.  We serve the
structural biology community by developing software and methods, and
through direct collaboration with experimental biologists.  We have seen
the need for an interactive forum for users of molecular dynamics
software
and techniques, of all experience levels, to exchange views and
expertise.

As a service to the molecular modeling community, we are constructing an
online gathering place, the Molecular Dynamics Salon.  The first area of
MDSalon available are discussion forums catering separately to
developers
of MD software and to those whose are primarily interested in its
application to simulations.  There are currently two main forums, but
more
will be added as popular subtopics emerge.  We will also be adding
databases of software and user-contributed examples, as well as a
special
developers' area featuring collected benchmarks.

Please join us at http://www.ks.uiuc.edu/Services/MDSalon/

-Jim




From owner-molmodel@hgmp.mrc.ac.uk  Tue Dec 12 23:16:29 2000
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From: "Romano AMODEO" <ramodeo@libero.it>
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Subject: Absolute International System as the model used by mind moleculas
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A.I.S. is the absolute perfect reference system. A.I.S. will unify Physics
, by Romano AMODEO, ramodeo@libero.it

This web www.new-is.com is about A.I.S. proposition. While I.S. is the
International System "of weights and measurements", Absolute I.S. is based
only on I.S. absolute (cubic and linear) models (and not on its imprecise
"weights and measurements"). Our mind already uses this A.I.S. (perfect
absolute ideal) system to conceive everything. When Physics will do the
same, everything will result through the same units of our ideal conception.
We'll receive immense prizes: any lacunas and approximations (in the
constant physical quantities and in everything) will be eliminated, Physics
will be unified and a perfect numerical dimensional examination will be
possible... It'll be enough the adoption of A.I.S.: absolute correction of
I.S..

This interdisciplinary important matter involves mathematics, geometry,
physics and information technology. But principally scholars are needed with
opened mind, without prejudices and able to think liberally to understand
and extrapolate important objective results in science and technology, which
become possible through the adoption, in Physics, of A.I.S.: absolute ideal
reference system applying geometry and mathematics.








From owner-molmodel@hgmp.mrc.ac.uk  Thu Dec 14 08:21:09 2000
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From: Vladimir Matveev <vm_spb@my-deja.com>
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Subject: Re: REPEAT THE REPRINT REQUEST
Date: Thu, 14 Dec 2000 08:10:58 GMT
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Everyone who sent me the reprint request, please, repeat it. My new
hard drive from IBM has crashed on December 11, 2000. IBM and me are
sorry for the inconveniences. Copy of your request email also to
v_matveev@hotmail.com


In article <8vik3k$1ld$1@nnrp1.deja.com>,
  Vladimir Matveev <vm_spb@my-deja.com> wrote:
> New type of protein-protein interaction: actomyosin gels interact in a
> THRESHOLD manner. For details see the following paper:
>
> V.V.Matveev. Evidence of a new type of protein-protein interaction:
> desensitized actomyosin blocks Ca2+-sensitivity of the natural one. A
> possible model for an intracellular signalling system related to actin
> filaments. Physiological Chemistry Physics & Medical NMR, 32: 167-179,
> 2000.
>
> ABSTRACT see here:
http://members.nbci.com/vm_spb/actomyosin/signal.htm
>
> Sent via Deja.com http://www.deja.com/
> Before you buy.
>


Sent via Deja.com
http://www.deja.com/




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From owner-molmodel@hgmp.mrc.ac.uk  Sat Dec 16 13:27:17 2000
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From: No-Money-Down-homes@kajaani.fi
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Subject: Retire in 5 years on Real Estate Wealth w/o $0 Down & No Qualifying Mortgages!
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* Would you like to SAVE $100,000 or more on your MORTGAGE? *

   * Would you like to buy a house WITHOUT QUALIFYING? *

          * All for ONLY $29?  Sound Interesting? *

............................................................

If you answered YES, read on because you are about to come 
across an incredibly unique program that will show you how
to purchase your own home WITHOUT QUALIFYING and SAVE 
astronomical amounts on your mortgage.


How is this accomplished? With the correct information, it is
extremely simple. 


Step 1: Locate a no qualifying deal.

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The first thing you will need to decide prior to making a no 
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   *     RISK FREE DOUBLE YOUR MONEY BACK GUARANTEE     *


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Over the past two decades, this remarkable program received
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Our Real Estate Program unconditionally guarantees you will be
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If you are not able purchase a home as stated above, simply 
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stated and is fully backed by Apex Realty Financial Assets & 
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This guarantee is made to you because the Apex Realty 
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The cost IS ONLY $29 and you can pay by Check-by-Fax, Check,
or Money Order. There are no other hidden costs or fees.

............................................................


ORDER: Complete the form below and postal mail to:
 	Apex Realty Financial Assets & Property Ltd
	Mail Box 67-0215
	Coral Springs, Fl 33067-0215


All necessary paperwork along with a toll-free support number for 
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payment to the above address; if you choose to do so, please 
check the waiver of signature box on the overnight envelope.


Please do not reply to this email, as it may not reach us 
correctly. All inquires are handled through postal mail at the 
address above or the toll free number provided with the order.


............................................................

Yes!  I WILL buy a house without qualifying and save $100,000+ 
on the mortgage.

Please make your check or money order payable to:
 ' Apex Reality, Ltd. '


Name_______________________________________________________


Address____________________________________________________


City________________________ State____________ Zip_________


E-mail (PRINT CLEARLY) ___________________________@________
		     PLEASE PRINT EMAIL VERY CLEARLY



Print and mail to:

	Apex Realty Financial Assets & Property Ltd
	Attn: Colbert
	Mail Box 67-0215
	Coral Springs, Fl 33067-0215


............................................................
This is a one time mailing. The information provided within is 
for educational puproses only. Void where prohibited. Under 
Bill s.1618 TITLE III passed by the 105th US Congress this 
letter cannot be considered spam as long as the sender includes
contact information and a method of removal. This is a one-
time e-mail transmission. No request for removal is 
necessary. To ensure removal, print the email address(es) 
clearly on one sheet of paper and postal mail directly to Apex.
Thisinformation may not be sold or reproduced without written 
notarized permission.



---




From owner-molmodel@hgmp.mrc.ac.uk  Wed Dec 20 02:57:05 2000
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From owner-molmodel@hgmp.mrc.ac.uk  Fri Dec 29 14:12:05 2000
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From owner-molmodel@hgmp.mrc.ac.uk  Sat Dec 30 18:27:14 2000
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From: citools@citools.com
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Subject: BOILER TOOL & SAFETY SPECIALS
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---




